Compound Detail
CHEMBL2417796
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C#CCN(Cc1cc2c(=O)n(C)c(CN3CCN(C)CC3)nc2cc1Br)c1ccc(C(=O)NCc2cccnc2)cc1
Basic Information
| ChEMBL ID | CHEMBL2417796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEPROPISBJVPKK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
628.6
MW (Da)
3.41
ALogP
8
HBA
1
HBD
86.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.31
IC50 1 meas. best 9.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 9.64 | 9.64 | 0.2 | 1 |
| WIL2 CHEMBL612809 | EC50 | 9.31 | 9.31 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 0.23 | nM | 9.64 | Inhibition of NAMPT (unknown origin) | 23679915 |
| WIL2 | EC50 | = | 0.49 | nM | 9.31 | Cytotoxicity against human W1L2 cells | 23679915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23679915 | 10.1021/jm4001049 | WIL2 | 1 |
| 23679915 | 10.1021/jm4001049 | Nicotinamide phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine